4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile

C16H13ClN4O2S — CID 122385470

IUPAC4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile
SMILESN#Cc1c(/N=N/c2ccc(N3CCOCC3)cc2)sc(C=O)c1Cl
InChIInChI=1S/C16H13ClN4O2S/c17-15-13(9-18)16(24-14(15)10-22)20-19-11-1-3-12(4-2-11)21-5-7-23-8-6-21/h1-4,10H,5-8H2/b20-19+
InChIKeyVBXOKYGOWDNGMF-FMQUCBEESA-N
MW360.83 g/mol
LogP4.34
Rot. Bonds4

About 4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile

4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile (PubChem CID 122385470) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is 4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile
PubChem CID122385470
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC Name4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile
SMILESN#Cc1c(/N=N/c2ccc(N3CCOCC3)cc2)sc(C=O)c1Cl
InChIInChI=1S/C16H13ClN4O2S/c17-15-13(9-18)16(24-14(15)10-22)20-19-11-1-3-12(4-2-11)21-5-7-23-8-6-21/h1-4,10H,5-8H2/b20-19+
InChIKeyVBXOKYGOWDNGMF-FMQUCBEESA-N
XLogP4.34
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
5-formyl-4-methyl-2-morpholin-4-ylthiophene-3-carbonitrile
CID 88587788
5-formyl-2-morpholin-4-yl-4-phenylthiophene-3-carbonitrile
CID 89127254
4-(5-chloro-2-methylphenyl)-5-formyl-2-morpholin-4-ylthiophene-3-carbonitrile
CID 143838353
1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4269460
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene
CID 118528756
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)benzonitrile
CID 11068507
4-chloro-6-(4-morpholin-4-ylanilino)pyrimidine-5-carbonitrile
CID 87644759
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
(3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 88875102
(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene
CID 121366200

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile?
The IUPAC name of 4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile (CID 122385470) is 4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile.
What is the SMILES notation for 4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile?
The canonical SMILES for 4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile is N#Cc1c(/N=N/c2ccc(N3CCOCC3)cc2)sc(C=O)c1Cl.
What is the InChIKey of 4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile?
The InChIKey is VBXOKYGOWDNGMF-FMQUCBEESA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c17-15-13(9-18)16(24-14(15)10-22)20-19-11-1-3-12(4-2-11)21-5-7-23-8-6-21/h1-4,10H,5-8H2/b20-19+.
What are the key properties of 4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile?
4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile has a molecular weight of 360.83 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile is sourced from PubChem (CID 122385470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).